Compound Identification
SMILES
COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C1=CC2=CC=CC=C2N1C)NC(C)=O
InChIKey
InChIKey=IAGFLBUNBMXVJT-UHFFFAOYSA-N
Formula
C25H32N4O5
Mass
468.554
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Asparagine and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Indolecarboxamides and derivatives Azaspirodecane derivatives N-alkylindoles N-acylpiperidines Indoles 2-heteroaryl carboxamides Pyrrole carboxamides N-acylpyrrolidines Fatty acid esters Benzenoids N-methylpyrroles Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Azaspirodecane - N-alkylindole - Indole - Indole or derivatives - N-acyl-piperidine - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Substituted pyrrole - Benzenoid - N-methylpyrrole - Piperidine - Tertiary carboxylic acid amide - Methyl ester - Pyrrolidine - Heteroaromatic compound - Acetamide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available